SCHEMBL16122833

SCHEMBL16122833

O=C(O)CNc1cc(CC(F)(F)F)c(Cl)cc1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 0.35
▸ TTR P02766 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CXCL8 P10145 2/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CAMK2A Q9UQM7 3/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ P2RX1 P51575 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16129117 0.81 SMN1; SMN2 (0.39) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL16122417 0.80 KRAS (0.44) KRASTTRALDH1A1POLBMEN1
SCHEMBL10594851 0.76 POLB (0.42) KRASPOLBMAPTTHRATHRB
SCHEMBL30806171 0.70 POLB (0.51) ALDH1A1POLBMEN1LMNAMAPT
SCHEMBL16122328 0.70 KDM4C (0.39) KRASTTRPOLBLMNACXCL8
SCHEMBL22560891 0.68 ALOX15 (0.35) MEN1LMNAMAPTKMT2A
SCHEMBL5841965 0.68 MRGPRX4 (0.54) ALDH1A1POLBMEN1LMNAMAPT
SCHEMBL21458770 0.68 KRAS (0.54) KRASTTRALDH1A1POLBMEN1
SCHEMBL158175 0.68 CXCL8 (0.54) TTRPTGS2POLBMEN1LMNA
SCHEMBL29512015 0.68 CXCL8 (0.54) TTRPTGS2POLBMEN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 — — US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885TTR 3417/4885ALDH1A1 2706/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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